2-Fluoro-5-methylbenzoic acid - CAS 321-12-0

Catalog:	BB021172
Product Name:	2-Fluoro-5-methylbenzoic acid
CAS:	321-12-0
Synonyms:	2-fluoro-5-methylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-5-methylbenzoic acid
Description:	2-Fluoro-5-methylbenzoic acid (CAS# 321-12-0) is a useful research chemical.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	CC1=CC(=C(C=C1)F)C(=O)O
InChI:	InChI=1S/C8H7FO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:	UREMNBHWTNQTMS-UHFFFAOYSA-N
Boiling Point:	259.2 °C at 760 mmHg
Purity:	98 %
Density:	1.258 g/cm³
MDL:	MFCD00092819
LogP:	1.83230

Publication Number	Title	Priority Date
JP-2021134343-A	A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture.	20200227
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
KR-102293986-B1	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
KR-20210052330-A	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030
WO-2021086077-A1	Isoquinolinone derivative, preparation method therefor, and pharmaceutical composition, comprising same as active ingredient, for prevention or treatment of poly(adp-ribose)polymerase-1 (parp-1)-associated disease	20191030

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Related Functional Groups

Carbonyl Compounds

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[1170836-29-9]
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Other Pyrimidines

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[452-76-6]
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[1597-32-6]
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[13566-71-7]
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[2696462-69-6]
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[832739-73-8]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04300762
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.04300762
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7